tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate

C14H25NO4 — CID 177424766

IUPACtert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate
SMILESCC1C=CC(C(NC(=O)OC(C)(C)C)[C@H](O)CO)C1
InChIInChI=1S/C14H25NO4/c1-9-5-6-10(7-9)12(11(17)8-16)15-13(18)19-14(2,3)4/h5-6,9-12,16-17H,7-8H2,1-4H3,(H,15,18)/t9?,10?,11-,12?/m1/s1
InChIKeyNULXGWSMKIIPLQ-QDLLBCNESA-N
MW271.36 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate

tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate (PubChem CID 177424766) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate
PubChem CID177424766
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate
SMILESCC1C=CC(C(NC(=O)OC(C)(C)C)[C@H](O)CO)C1
InChIInChI=1S/C14H25NO4/c1-9-5-6-10(7-9)12(11(17)8-16)15-13(18)19-14(2,3)4/h5-6,9-12,16-17H,7-8H2,1-4H3,(H,15,18)/t9?,10?,11-,12?/m1/s1
InChIKeyNULXGWSMKIIPLQ-QDLLBCNESA-N
XLogP1.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
CID 118216477
tert-butyl N-[(1R,2R)-1-cyclohexa-2,4-dien-1-yl-1,3-dihydroxypropan-2-yl]carbamate
CID 59725119
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate
CID 101340435
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
tert-butyl N-[(1S,4R)-4-[hydroxy(methylsulfonyl)methyl]cyclopent-2-en-1-yl]carbamate
CID 71163238
tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
CID 102483030
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
CID 91455667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate (CID 177424766) is tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate is CC1C=CC(C(NC(=O)OC(C)(C)C)[C@H](O)CO)C1.
What is the InChIKey of tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate?
The InChIKey is NULXGWSMKIIPLQ-QDLLBCNESA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-5-6-10(7-9)12(11(17)8-16)15-13(18)19-14(2,3)4/h5-6,9-12,16-17H,7-8H2,1-4H3,(H,15,18)/t9?,10?,11-,12?/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate?
tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2,3-dihydroxy-1-(4-methylcyclopent-2-en-1-yl)propyl]carbamate is sourced from PubChem (CID 177424766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).